SCHEMBL9032867

SCHEMBL9032867

CC(C)(C)OC(=O)[C@@H]1CC[C@@H](CCCO)S1

nearest known ligand 0.34

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.34
ALDH1A1 P00352 1/20 0.33
KMT2A Q03164 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9032881 1.00 TDP1 (0.34) TDP1ALDH1A1KMT2A
SCHEMBL9032876 1.00 TDP1 (0.34) TDP1ALDH1A1KMT2A
SCHEMBL9030842 0.91 ALDH1A1 (0.35) ALDH1A1KMT2A
SCHEMBL9031864 0.91 ALDH1A1 (0.35) ALDH1A1KMT2A
SCHEMBL9030846 0.91 ALDH1A1 (0.35) ALDH1A1KMT2A
SCHEMBL9030853 0.91 ALDH1A1 (0.35) ALDH1A1KMT2A
SCHEMBL9031664 0.84 NR1H2 (0.34) ALDH1A1KMT2A
SCHEMBL9031661 0.84 NR1H2 (0.34) ALDH1A1KMT2A
SCHEMBL9033676 0.84 NR1H2 (0.34) ALDH1A1KMT2A
SCHEMBL9031668 0.84 NR1H2 (0.34) ALDH1A1KMT2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0558287-B1 Tetrahydrothiophene derivatives SANTEN PHARMACEUTICAL CO LTD (JP) 1996-12-04 EP disclosed
US-5292767-A Tetrahydrothiophene derivatives SANTEN PHARMACEUTICAL CO., LTD. (JP) 1994-03-08 US disclosed
EP-0558287-A1 Tetrahydrothiophene derivatives SANTEN PHARMACEUTICAL CO., LTD. (JP) 1993-09-01 EP disclosed